2-fluoro-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide

C15H9F2N3OS — CID 3733180

IUPAC2-fluoro-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccccc2F)s1)c1ccccc1F
InChIInChI=1S/C15H9F2N3OS/c16-11-7-3-1-5-9(11)13(21)18-15-20-19-14(22-15)10-6-2-4-8-12(10)17/h1-8H,(H,18,20,21)
InChIKeyGLYRMPRJSRNQGE-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.74
Rot. Bonds3

About 2-fluoro-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide

2-fluoro-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 3733180) has the molecular formula C15H9F2N3OS and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-fluoro-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID3733180
Molecular FormulaC15H9F2N3OS
Molecular Weight317.32 g/mol
Exact Mass317.04
IUPAC Name2-fluoro-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccccc2F)s1)c1ccccc1F
InChIInChI=1S/C15H9F2N3OS/c16-11-7-3-1-5-9(11)13(21)18-15-20-19-14(22-15)10-6-2-4-8-12(10)17/h1-8H,(H,18,20,21)
InChIKeyGLYRMPRJSRNQGE-UHFFFAOYSA-N
XLogP3.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 3733180) is 2-fluoro-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2ccccc2F)s1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is GLYRMPRJSRNQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N3OS/c16-11-7-3-1-5-9(11)13(21)18-15-20-19-14(22-15)10-6-2-4-8-12(10)17/h1-8H,(H,18,20,21).
What are the key properties of 2-fluoro-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
2-fluoro-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 317.32 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 3733180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).